Crystallography Open Database

Information card for entry 7238693

Preview

Coordinates	7238693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 N4 O Pd S
Calculated formula	C18 H16 N4 O Pd S
Title of publication	Mixed-ligand benzaldehyde thiosemicarbazone complexes of palladium containing N,O-donor ancillary ligands. Syntheses, structures, and catalytic application in C‒C and C‒N coupling reactions
Authors of publication	Dutta, Jayita; Datta, Sayanti; Kumar Seth, Dipravath; Bhattacharya, Samaresh
Journal of publication	RSC Advances
Year of publication	2012
Journal volume	2
Journal issue	31
Pages of publication	11751
a	27.9696 ± 0.0019 Å
b	35.857 ± 0.003 Å
c	7.033 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	7053.4 ± 0.9 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.0835
Goodness-of-fit parameter for all reflections included in the refinement	0.934
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
244295 (current)	2019-11-28	cif/ Adding structures of 7238691, 7238692, 7238693 via cif-deposit CGI script.	7238693.cif